SCHEMBL9211530

SCHEMBL9211530

CCc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1C=NC(C#N)=C(N)C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 18/20 0.39
GABRA2 P47869 13/20 0.39
GABRB2 P47870 13/20 0.39
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
GABRP O00591 9/20 0.37
GABRD O14764 9/20 0.37
GABRA1 P14867 9/20 0.37
GABRB1 P18505 9/20 0.37
GABRG2 P18507 9/20 0.37
GABRA5 P31644 9/20 0.37
GABRA3 P34903 9/20 0.37
GABRA4 P48169 9/20 0.37
GABRE P78334 9/20 0.37
GABRA6 Q16445 9/20 0.37
GABRG1 Q8N1C3 9/20 0.37
GABRG3 Q99928 9/20 0.37
GABRQ Q9UN88 9/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9502907 1.00 GABRB3 (0.39) GABRB3GABRA2GABRB2GAAMAPT
SCHEMBL9502899 0.92 GABRB3 (0.38) GABRB3GABRA2GABRB2GAAMAPT
SCHEMBL9215522 0.92 GABRB3 (0.38) GABRB3GABRA2GABRB2GAAMAPT
SCHEMBL9218561 0.88 GAA (0.39) GABRB3GABRA2GABRB2GAAMAPT
SCHEMBL9501896 0.88 GAA (0.39) GABRB3GABRA2GABRB2GAAMAPT
SCHEMBL9216905 0.87 GAA (0.40) GABRB3GABRA2GABRB2GAAMAPT
SCHEMBL9500624 0.87 GAA (0.40) GABRB3GABRA2GABRB2GAAMAPT
SCHEMBL9501950 0.80 GABRB3 (0.35) GABRB3GABRA2GABRB2GAAMAPT
SCHEMBL9208952 0.80 GABRB3 (0.35) GABRB3GABRA2GABRB2GAAMAPT
SCHEMBL9218454 0.79 MAPT (0.40) GABRB3GABRA2GABRB2GAAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0412849-B1 Azole pesticides AGREVO UK LTD (GB) 1995-12-20 EP disclosed
US-5189053-A Insecticide, acaricide and endoparasiticide SCHERING AGROCHEMICALS LIMITED (GB) 1993-02-23 US disclosed
EP-0412849-A2 Azole pesticides AgrEvo UK Limited (GB) 1991-02-13 EP disclosed